UCSF

ZINC37862773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 2.53 -40.3 3 3 1 50 184.259 6
Hi High (pH 8-9.5) 1.25 1.13 -4.02 2 3 0 45 183.251 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )